2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid

C6H5FN2O4 — CID 174396089

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O4/c7-3(5(11)12)2-1-8-6(13)9-4(2)10/h1,3H,(H,11,12)(H2,8,9,10,13)
InChIKeyLGVBTFZZTGLSBV-UHFFFAOYSA-N
MW188.11 g/mol
LogP-0.84
Rot. Bonds2

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid

2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid (PubChem CID 174396089) has the molecular formula C6H5FN2O4 and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid
PubChem CID174396089
Molecular FormulaC6H5FN2O4
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H5FN2O4/c7-3(5(11)12)2-1-8-6(13)9-4(2)10/h1,3H,(H,11,12)(H2,8,9,10,13)
InChIKeyLGVBTFZZTGLSBV-UHFFFAOYSA-N
XLogP-0.84
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid (CID 174396089) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid is O=C(O)C(F)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid?
The InChIKey is LGVBTFZZTGLSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FN2O4/c7-3(5(11)12)2-1-8-6(13)9-4(2)10/h1,3H,(H,11,12)(H2,8,9,10,13).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid?
2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid has a molecular weight of 188.11 g/mol, XLogP of -0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-2-fluoroacetic acid is sourced from PubChem (CID 174396089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).